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nomad-lab
parser-asap
Commits
9fb4b631
Commit
9fb4b631
authored
Oct 25, 2016
by
Mikkel Strange
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small fix
parent
4c69a989
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parser/parser-asap/parser_asap.py
parser/parser-asap/parser_asap.py
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parser/parser-asap/parser_asap.py
View file @
9fb4b631
...
...
@@ -104,7 +104,6 @@ def parse(filename):
c
(
f
.
get_forces
(
apply_constraint
=
False
),
'eV/angstrom'
))
with
o
(
p
,
'section_sampling_method'
):
ds
=
t
.
description
ensemble_type
=
'NVE'
# default ensemble_type
if
ds
:
# if there is a traj.description
if
'timestep'
in
ds
:
# timestep in MD
...
...
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